SCHEMBL6470927

SCHEMBL6470927

COc1cc(CN(CCc2ccc(F)cc2)C(N)=S)ccc1OCCN

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6472270 0.90 MEN1 (0.56) KDM4ETRPM8MEN1KMT2ACYP1A2
SCHEMBL6471647 0.89 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL6469665 0.88 MEN1 (0.43) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6469945 0.84 HTR2A (0.45) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL6472196 0.83 DUSP3 (0.48)
SCHEMBL6470980 0.82 TSHR (0.47) ALDH1A1TRPM8
SCHEMBL6470082 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6470064 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6470333 0.80 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL6470393 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed